异丹参酮I
TL;DR: 异丹参酮I (CAS 20958-17-2) is a chemical compound with molecular formula C18H12O3 and molecular weight 276.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丹参酮I
4,8-dimethylnaphtho[2,1-f][1]benzofuran-7,11-dione
Also Known As: Isotanshinone I, Isotanshinone, iso-Tanshinone I, 4,8-Dimethylphenanthro[3,2-b]furan-7,11-dione, 4,8-dimethylnaphtho[2,1-f][1]benzofuran-7,11-dione
| Molecular Formula | C18H12O3 |
|---|---|
| Molecular Weight | 276.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.07864 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 20958-17-2 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C4=C(C3=O)C(=CO4)C |
| InChIKey | XYKZSUXWBGUGQV-UHFFFAOYSA-N |
Product Overview
异丹参酮I (CAS 20958-17-2), with molecular formula C18H12O3 and molecular weight 276.08 g/mol. IUPAC: 4,8-dimethylnaphtho[2,1-f][1]benzofuran-7,11-dione.
Chemical Property Profile of 异丹参酮I
Property Insights of 异丹参酮I
The XLogP value of 4.2 indicates that 异丹参酮I is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.3 Ų, 异丹参酮I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丹参酮I has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异丹参酮I?
The CAS number of 异丹参酮I is 20958-17-2.
What is the molecular formula of 异丹参酮I?
The molecular formula of 异丹参酮I is C18H12O3.
What is the molecular weight of 异丹参酮I?
The molecular weight of 异丹参酮I is 276.08 g/mol.
Where can I buy 异丹参酮I?
You can request a quote for 异丹参酮I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丹参酮I?
Yes, KEHONG BIO provides custom synthesis services for 异丹参酮I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.